3-[3-butan-2-yl-5-(methoxymethyl)-1-methyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[3-butan-2-yl-5-(methoxymethyl)-1-methyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[5-(methoxymethyl)-1-methyl-3-sec-butyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[3-butan-2-yl-5-(methoxymethyl)-1-methyl-4-pyrazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[3-butan-2-yl-5-(methoxymethyl)-1-methylpyrazol-4-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[5-(methoxymethyl)-1-methyl-3-sec-butyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=C1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)COC)C

Isomeric SMILES

CCC(C)C1=NN(C(=C1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)COC)C

InChI

InChI=1S/C24H28N2O3/c1-6-15(2)23-22(20(14-29-5)26(4)25-23)18-12-13-19(17-10-8-7-9-11-17)21(16(18)3)24(27)28/h7-13,15H,6,14H2,1-5H3,(H,27,28)